General Information of the Compound
| Compound ID |
CP0543347
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| Compound Name |
(4S)-3-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-4-(hydroxymethyl)-5,5-dimethyl-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C19H22F3N7O4
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| Molecular Weight |
469.424
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| Canonical SMILES |
CC1(C)OC(=O)N([C@H]1CO)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1
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| InChI |
InChI=1S/C19H22F3N7O4/c1-18(2)12(9-30)29(17(31)33-18)16-25-11(7-13(26-16)28-3-5-32-6-4-28)10-8-24-15(23)27-14(10)19(20,21)22/h7-8,12,30H,3-6,9H2,1-2H3,(H2,23,24,27)/t12-/m0/s1
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| InChIKey |
OMMNSAMDSYRNEF-LBPRGKRZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT07498, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT06232, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform